Information card for entry 4516093

Structure parameters

• Formula: C22 H30 N4 O2
• Calculated formula: C22 H30 N4 O2
• SMILES: c1(cc(ccc1/C=N/N=C/c1c(cc(cc1)N(CC)CC)O)N(CC)CC)O
• Title of publication: Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).
• Authors of publication: Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 16089 - 16098
• a: 6.898 ± 0.0004 Å
• b: 8.2874 ± 0.0005 Å
• c: 9.6802 ± 0.0006 Å
• α: 79.149 ± 0.003°
• β: 69.618 ± 0.003°
• γ: 83.152 ± 0.003°
• Cell volume: 508.6 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No